| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:14:54 UTC |
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| Update Date | 2025-03-24 22:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01239843 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H11NO3 |
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| Molecular Mass | 145.0739 |
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| SMILES | NCC1(CO)COC(=O)C1 |
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| InChI Key | CTGADHQCBZTDIA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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